N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide

C20H28N2O3S — CID 90518737

IUPACN-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-17-7-13-20(14-8-17)25-15-16-26(23,24)21-18-9-11-19(12-10-18)22(5-2)6-3/h7-14,21H,4-6,15-16H2,1-3H3
InChIKeyXRSXMANRILNNHZ-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.92
Rot. Bonds10

About N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide

N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide (PubChem CID 90518737) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
PubChem CID90518737
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-17-7-13-20(14-8-17)25-15-16-26(23,24)21-18-9-11-19(12-10-18)22(5-2)6-3/h7-14,21H,4-6,15-16H2,1-3H3
InChIKeyXRSXMANRILNNHZ-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518736
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide
CID 90518914
2-(4-ethylphenoxy)-N-(3-nitrophenyl)ethanesulfonamide
CID 90518747
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
CID 90518830
2-hydroxy-N-(4-propoxyphenyl)ethanesulfonamide
CID 79578942
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
2-(4-ethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 90518762
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
N-[4-(dipropylamino)phenyl]propane-1-sulfonamide
CID 112985658
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide (CID 90518737) is N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)Nc2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide?
The InChIKey is XRSXMANRILNNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-4-17-7-13-20(14-8-17)25-15-16-26(23,24)21-18-9-11-19(12-10-18)22(5-2)6-3/h7-14,21H,4-6,15-16H2,1-3H3.
What are the key properties of N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide?
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide is sourced from PubChem (CID 90518737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).